ethyl 4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]-cyano-methyl]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]-cyano-methyl]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[[4-(4-bromophenyl)thiazol-2-yl]-cyano-methyl]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(4-bromophenyl)-2-thiazolyl]-cyanomethyl]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]-cyanomethyl]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[[4-(4-bromophenyl)thiazol-2-yl]-cyano-methyl]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C19H15BrN4O2S2 MolecularWeight: 475.382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)Br)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)Br)SC

InChI

InChI=1S/C19H15BrN4O2S2/c1-3-26-18(25)14-9-22-19(27-2)24-16(14)13(8-21)17-23-15(10-28-17)11-4-6-12(20)7-5-11/h4-7,9-10,13H,3H2,1-2H3